L381-0594 Screening compound: 1-[6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide

L381-0594 Screening compound: 1-[6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide
L381-0594 Screening compound: 1-[6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0594
1-[6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L381-0594

Molecular Formula

C22H25N5O4S (C22 H25 N5 O4 S)

Compound Name

1-[6-({[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide

IUPAC name

1-[6-({[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-cyclopropylpiperidine-4-carboxamide

SMILES

O=C(CSc(cc1)nnc1N(CC1)CCC1C(NC1CC1)=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H25N5O4S/c28-20(23-16-3-4-17-18(11-16)31-13-30-17)12-32-21-6-5-19(25-26-21)27-9-7-14(8-10-27)22(29)24-15-1-2-15/h3-6,11,14-15H,1-2,7-10,12-13H2,(H,23,28)(H,24,29)

InChI Key

OPMDJGWAIQALLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.321

Distribution Coefficient, logD

2.320

Water Solubility, LogSw

-2.93

Polar Surface Area

88.721

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L381-0594 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L381-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0594?
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What is the minimum amount of L381-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0594
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L381-0594 available by request